The accuracy of DFT-optimized geometries of functional transition metal compounds: a validation study of catalysts for olefin metathesis and other reactions in the homogeneous phase-Reference-Cited by-同舟云学术

The accuracy of DFT-optimized geometries of functional transition metal compounds: a validation study of catalysts for olefin metathesis and other reactions in the homogeneous phase

Published:2012 Issue:18 Volume:41 Page:5526
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Minenkov Yury,Singstad Åsmund,Occhipinti Giovanni,Jensen Vidar R.

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2012/DT/C2DT12232D

Reference169 articles.

1. Inhomogeneous Electron Gas

2. Self-Consistent Equations Including Exchange and Correlation Effects

3. On the accuracy of density functional theory in transition metal chemistry

4. Organometallic reactivity: the role of metal–ligand bond energies from a computational perspective

5. Relativity and chemical bonding

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